macromolecular crystallography library and utilities

Multiple sequence and structure alignment with top benchmark scores scalable to thousands of sequences. Generates replicate alignments, enabling assessment of downstream analyses such as trees and predicted structures.

The Rosetta Bio-macromolecule modeling package.

Compressing protein structures effectively with torsion angles

The Integrative Modeling Platform

PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms

Protein structure alignment and search algorithm

Library containing code to manipulate mmCIF and PDB files

Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic balls.

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

DE-STRESS is a model evaluation pipeline that aims to make protein design more reliable and accessible.

EMERALD calculates safety-windows by exploring the suboptimal alignment space

Predicting the effect of mutations on protein stability using a simple orientational potential.

State-of-the-art ab initio prediction of 1D protein structure annotations

Rotamer Interaction Field Python Libraries for Computational Protein Design

FTDMP is a software system for running docking experiments and scoring/ranking multimeric models.

Cartoon mesh generation for secondary structure of proteins in C++

The library to support reading and writing of RMF files.

A fork of Autodock Vina for DeltaVina scoring function

Analyze classical electric fields within chemical structures